2x-121
11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one
Molecular Identity
2x-121
11-(1,3-dihydroisoindol-2-ylmethyl)-2,3,10,12-tetrazatricyclo[7.3.1.05,13]trideca-1,5(13),6,8,11-pentaen-4-one
PubChem CID: 135565981
2D Structure
Properties
C18H15N5O
Molecular Formula
317.30
Molecular Weight
g/mol
317.1277
Exact Mass
Da
1.1
XLogP
Drug-like (Lipinski: < 5)
69.1
TPSA
Good oral absorption (< 140 A²)
2
H-Bond Donors
3
H-Bond Acceptors
586
Complexity
SMILES
Canonical SMILES
SMILES: C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3Isomeric SMILES
SMILES: C1C2=CC=CC=C2CN1CC3=NC4=NNC(=O)C5=C4C(=CC=C5)N3Synonyms(20)
1140964-99-3StenoparibE7449E-7449Parp inhibitor 2x-1219X5A2QIA7C2X-1213H-Pyridazino[3,4,5-de]quinazolin-3-one, 8-[(1,3-dihydro-2H-isoindol-2-yl)methyl]-1,2-dihydro-3H-Pyridazino(3,4,5-de)quinazolin-3-one, 8-((1,3-dihydro-2H-isoindol-2-yl)methyl)-1,2-dihydro-8-(isoindolin-2-ylmethyl)-2,9-dihydro-3H-pyridazino(3,4,5-de)quinazolin-3-one8-(isoindolin-2-ylmethyl)-2,9-dihydro-3H-pyridazino[3,4,5-de]quinazolin-3-oneRefChem:90183PARP/TNKS Inhibitor 2X-121PARP/TANKYRASE INHIBITOR 2X-121UNII-9X5A2QIA7C
Data from PubChem (NCBI)
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Drug Network
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